4-[[1,3-diethyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]benzoic acid

Systemtic Name: 4-[[1,3-diethyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]benzoic acid Openeye Name: 4-[(1,3-diethyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzoic acid CAS Name: 4-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzoic acid IUPAC Name: 4-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzoic acid Traditional Name: 4-[(1,3-diethyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzoic acid Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC=C(C=C2)C(=O)O)C(=O)N(C1=S)CC

Isomeric SMILES

CCN1C(=O)C(=CC2=CC=C(C=C2)C(=O)O)C(=O)N(C1=S)CC

InChI

InChI=1S/C16H16N2O4S/c1-3-17-13(19)12(14(20)18(4-2)16(17)23)9-10-5-7-11(8-6-10)15(21)22/h5-9H,3-4H2,1-2H3,(H,21,22)